aluminum dibenzoate

C14H10AlO4+ — CID 18679092

IUPACaluminum dibenzoate
SMILESO=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Al+3]
InChIInChI=1S/2C7H6O2.Al/c2*8-7(9)6-4-2-1-3-5-6;/h2*1-5H,(H,8,9);/q;;+3/p-2
InChIKeyRQNQYHSLWSFEEX-UHFFFAOYSA-L
MW269.21 g/mol
LogP-0.28
Rot. Bonds2

About aluminum dibenzoate

aluminum dibenzoate (PubChem CID 18679092) has the molecular formula C14H10AlO4+ and a molecular weight of 269.21 g/mol. Its IUPAC name is aluminum dibenzoate.

Molecular Properties

Compound Namealuminum dibenzoate
PubChem CID18679092
Molecular FormulaC14H10AlO4+
Molecular Weight269.21 g/mol
Exact Mass269.04
IUPAC Namealuminum dibenzoate
SMILESO=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Al+3]
InChIInChI=1S/2C7H6O2.Al/c2*8-7(9)6-4-2-1-3-5-6;/h2*1-5H,(H,8,9);/q;;+3/p-2
InChIKeyRQNQYHSLWSFEEX-UHFFFAOYSA-L
XLogP-0.28
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.21
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cerium(3+) tribenzoate
CID 6452877
benzoate tetrahydrate
CID 18510013
cobalt(3+) tribenzoate
CID 20537733
copper tribenzoate
CID 158096746
ruthenium(4+) tetrabenzoate
CID 173321421
calcium dibenzoate
CID 90470399
cadmium(2+) benzoate
CID 22051861
platinum(4+) tetrabenzoate
CID 173022810
azanium benzoate
CID 15830
triazanium;tribenzoate
CID 161450646
barium(2+) benzoate
CID 22608800
cadmium benzoate
CID 170839001

Frequently Asked Questions

What is the IUPAC name of aluminum dibenzoate?
The IUPAC name of aluminum dibenzoate (CID 18679092) is aluminum dibenzoate.
What is the SMILES notation for aluminum dibenzoate?
The canonical SMILES for aluminum dibenzoate is O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Al+3].
What is the InChIKey of aluminum dibenzoate?
The InChIKey is RQNQYHSLWSFEEX-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H6O2.Al/c2*8-7(9)6-4-2-1-3-5-6;/h2*1-5H,(H,8,9);/q;;+3/p-2.
What are the key properties of aluminum dibenzoate?
aluminum dibenzoate has a molecular weight of 269.21 g/mol, XLogP of -0.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum dibenzoate is sourced from PubChem (CID 18679092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).